dimethyl 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylate

Systemtic Name: dimethyl 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylate Openeye Name: dimethyl 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylate CAS Name: 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylate Traditional Name: 3,3a,4,5-tetrahydrothieno[2,3-c]pyrazole-5,6a-dicarboxylic acid dimethyl ester Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2CN=NC2(S1)C(=O)OC

Isomeric SMILES

COC(=O)C1CC2CN=NC2(S1)C(=O)OC

InChI

InChI=1S/C9H12N2O4S/c1-14-7(12)6-3-5-4-10-11-9(5,16-6)8(13)15-2/h5-6H,3-4H2,1-2H3